N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide

C14H17ClN4O5S — CID 131930236

IUPACN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)NCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O5S/c15-9-1-3-10(4-2-9)25(23,24)17-8-7-16-12(20)6-5-11-13(21)19-14(22)18-11/h1-4,11,17H,5-8H2,(H,16,20)(H2,18,19,21,22)/t11-/m0/s1
InChIKeyKRAQHXPFIKSCTM-NSHDSACASA-N
MW388.83 g/mol
LogP-0.28
Rot. Bonds8

About N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 131930236) has the molecular formula C14H17ClN4O5S and a molecular weight of 388.83 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID131930236
Molecular FormulaC14H17ClN4O5S
Molecular Weight388.83 g/mol
Exact Mass388.06
IUPAC NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)NCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O5S/c15-9-1-3-10(4-2-9)25(23,24)17-8-7-16-12(20)6-5-11-13(21)19-14(22)18-11/h1-4,11,17H,5-8H2,(H,16,20)(H2,18,19,21,22)/t11-/m0/s1
InChIKeyKRAQHXPFIKSCTM-NSHDSACASA-N
XLogP-0.28
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[2-(4-chlorophenoxy)ethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24548368
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide
CID 39969885
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide
CID 108572895
1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]methanesulfonamide
CID 110722226
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108574022
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 70720397
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31336412
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
CID 70737699
3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108574321
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110722163
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 70723639

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide (CID 131930236) is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide is O=C(CC[C@@H]1NC(=O)NC1=O)NCCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is KRAQHXPFIKSCTM-NSHDSACASA-N. The full InChI is InChI=1S/C14H17ClN4O5S/c15-9-1-3-10(4-2-9)25(23,24)17-8-7-16-12(20)6-5-11-13(21)19-14(22)18-11/h1-4,11,17H,5-8H2,(H,16,20)(H2,18,19,21,22)/t11-/m0/s1.
What are the key properties of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 388.83 g/mol, XLogP of -0.28, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 131930236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).