N-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

C21H28ClN3O6S — CID 134553813

IUPACN-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESO=C1CN(CCCCCS(=O)(=O)NC2CCOc3c2ccc(Cl)c3OCC2CC2)C(=O)N1
InChIInChI=1S/C21H28ClN3O6S/c22-16-7-6-15-17(8-10-30-19(15)20(16)31-13-14-4-5-14)24-32(28,29)11-3-1-2-9-25-12-18(26)23-21(25)27/h6-7,14,17,24H,1-5,8-13H2,(H,23,26,27)
InChIKeyZWVITBITOJSQNQ-UHFFFAOYSA-N
MW485.99 g/mol
LogP2.59
Rot. Bonds11

About N-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

N-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 134553813) has the molecular formula C21H28ClN3O6S and a molecular weight of 485.99 g/mol. Its IUPAC name is N-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID134553813
Molecular FormulaC21H28ClN3O6S
Molecular Weight485.99 g/mol
Exact Mass485.14
IUPAC NameN-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESO=C1CN(CCCCCS(=O)(=O)NC2CCOc3c2ccc(Cl)c3OCC2CC2)C(=O)N1
InChIInChI=1S/C21H28ClN3O6S/c22-16-7-6-15-17(8-10-30-19(15)20(16)31-13-14-4-5-14)24-32(28,29)11-3-1-2-9-25-12-18(26)23-21(25)27/h6-7,14,17,24H,1-5,8-13H2,(H,23,26,27)
InChIKeyZWVITBITOJSQNQ-UHFFFAOYSA-N
XLogP2.59
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2,2,2-trifluoroethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155369989
N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370092
N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370094
N-[(1R)-1-[4-chloro-5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370097
N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-3,3,3-trifluoropropyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370109
N-[(1S)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 124185864
N-[1-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134541375
N-[2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134544149
N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-cyclopropylethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134553490
N-[(1S)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-methoxyethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134553492
N-[(1S)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-(methylamino)ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134553493
N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134553720

Frequently Asked Questions

What is the IUPAC name of N-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (CID 134553813) is N-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is O=C1CN(CCCCCS(=O)(=O)NC2CCOc3c2ccc(Cl)c3OCC2CC2)C(=O)N1.
What is the InChIKey of N-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is ZWVITBITOJSQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O6S/c22-16-7-6-15-17(8-10-30-19(15)20(16)31-13-14-4-5-14)24-32(28,29)11-3-1-2-9-25-12-18(26)23-21(25)27/h6-7,14,17,24H,1-5,8-13H2,(H,23,26,27).
What are the key properties of N-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
N-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide has a molecular weight of 485.99 g/mol, XLogP of 2.59, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 134553813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).