N-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide

C19H24N4O6S — CID 55978777

IUPACN-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
SMILESCOc1ccc(CCCNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H24N4O6S/c1-29-15-6-4-14(5-7-15)3-2-11-22-19(24)10-12-21-17-9-8-16(30(20,27)28)13-18(17)23(25)26/h4-9,13,21H,2-3,10-12H2,1H3,(H,22,24)(H2,20,27,28)
InChIKeyPNOOBAPJCUNEFH-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.80
Rot. Bonds11

About N-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide

N-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide (PubChem CID 55978777) has the molecular formula C19H24N4O6S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
PubChem CID55978777
Molecular FormulaC19H24N4O6S
Molecular Weight436.49 g/mol
Exact Mass436.14
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
SMILESCOc1ccc(CCCNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H24N4O6S/c1-29-15-6-4-14(5-7-15)3-2-11-22-19(24)10-12-21-17-9-8-16(30(20,27)28)13-18(17)23(25)26/h4-9,13,21H,2-3,10-12H2,1H3,(H,22,24)(H2,20,27,28)
InChIKeyPNOOBAPJCUNEFH-UHFFFAOYSA-N
XLogP1.80
TPSA153.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 39969212
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 24625824
3-(2-nitro-4-sulfamoylanilino)-N-(2-phenylsulfanylethyl)propanamide
CID 55407564
N-[4-(4-methylphenoxy)phenyl]-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 24503032
4-[2-[4-(hydroxymethyl)phenyl]ethylamino]-3-nitrobenzenesulfonamide
CID 133434934
4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzenesulfonamide
CID 9311159
1-[4-[2-(4-methoxyphenyl)ethylamino]-3-nitrophenyl]ethanone
CID 9281280
N-(4-bromophenyl)-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 36838470
4-[2-(4-methoxyphenyl)ethylamino]-3-nitro-N-phenylbenzenesulfonamide
CID 3953859
N-[2-(4-methoxyphenyl)ethyl]-2,4-dinitroaniline
CID 9281277
3-(2-nitro-4-sulfamoylanilino)-N-(2-piperidin-3-ylethyl)propanamide
CID 119559099

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide (CID 55978777) is N-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide is COc1ccc(CCCNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide?
The InChIKey is PNOOBAPJCUNEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O6S/c1-29-15-6-4-14(5-7-15)3-2-11-22-19(24)10-12-21-17-9-8-16(30(20,27)28)13-18(17)23(25)26/h4-9,13,21H,2-3,10-12H2,1H3,(H,22,24)(H2,20,27,28).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide?
N-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide has a molecular weight of 436.49 g/mol, XLogP of 1.80, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide is sourced from PubChem (CID 55978777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).