7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride

C17H27ClN4O4S — CID 119713468

IUPAC7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C17H26N4O4S.ClH/c18-9-4-2-1-3-8-16(22)20-14-6-5-7-15(12-14)26(24,25)21-11-10-19-17(23)13-21;/h5-7,12H,1-4,8-11,13,18H2,(H,19,23)(H,20,22);1H
InChIKeyAYDUJCKWKGYXFO-UHFFFAOYSA-N
MW418.95 g/mol
LogP1.08
Rot. Bonds9

About 7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride

7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride (PubChem CID 119713468) has the molecular formula C17H27ClN4O4S and a molecular weight of 418.95 g/mol. Its IUPAC name is 7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride
PubChem CID119713468
Molecular FormulaC17H27ClN4O4S
Molecular Weight418.95 g/mol
Exact Mass418.14
IUPAC Name7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C17H26N4O4S.ClH/c18-9-4-2-1-3-8-16(22)20-14-6-5-7-15(12-14)26(24,25)21-11-10-19-17(23)13-21;/h5-7,12H,1-4,8-11,13,18H2,(H,19,23)(H,20,22);1H
InChIKeyAYDUJCKWKGYXFO-UHFFFAOYSA-N
XLogP1.08
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(3-morpholin-4-ylsulfonylphenyl)heptanamide
CID 119671799
tert-butyl N-[4-oxo-4-[3-(3-oxopiperazin-1-yl)sulfonylanilino]butyl]carbamate
CID 55762447
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride
CID 119713498
(2S)-2-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]propanamide
CID 119283963
(2S)-2-amino-3,3-dimethyl-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]butanamide
CID 119713483
N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 55762392
N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55664739
4-[3-(but-3-enylamino)phenyl]sulfonylpiperazin-2-one
CID 131963341
2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540459
7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
CID 119670373
2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 55762233

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride (CID 119713468) is 7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of 7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride?
The InChIKey is AYDUJCKWKGYXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S.ClH/c18-9-4-2-1-3-8-16(22)20-14-6-5-7-15(12-14)26(24,25)21-11-10-19-17(23)13-21;/h5-7,12H,1-4,8-11,13,18H2,(H,19,23)(H,20,22);1H.
What are the key properties of 7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride?
7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride has a molecular weight of 418.95 g/mol, XLogP of 1.08, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119713468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).