2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide

C17H28N4O3S — CID 119876362

IUPAC2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1
InChIInChI=1S/C17H28N4O3S/c1-3-6-16(18)17(22)19-14-7-4-8-15(13-14)25(23,24)21-10-5-9-20(2)11-12-21/h4,7-8,13,16H,3,5-6,9-12,18H2,1-2H3,(H,19,22)
InChIKeyIYWXLJDAOMIVNO-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.08
Rot. Bonds6

About 2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide

2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide (PubChem CID 119876362) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide
PubChem CID119876362
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1
InChIInChI=1S/C17H28N4O3S/c1-3-6-16(18)17(22)19-14-7-4-8-15(13-14)25(23,24)21-10-5-9-20(2)11-12-21/h4,7-8,13,16H,3,5-6,9-12,18H2,1-2H3,(H,19,22)
InChIKeyIYWXLJDAOMIVNO-UHFFFAOYSA-N
XLogP1.08
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]butanamide
CID 119876376
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)pentanamide
CID 119262364
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride
CID 119864412
(2S)-2-amino-4-methylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262501
3-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]benzamide;dihydrochloride
CID 119876383
2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide
CID 119864454
2-bromo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 62855752
2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540390
2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide
CID 119315948
1-[1-(3-chlorophenyl)propyl]-3-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]urea
CID 146123845
2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 168522127
N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 146097566

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide?
The IUPAC name of 2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide (CID 119876362) is 2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide is CCCC(N)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1.
What is the InChIKey of 2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide?
The InChIKey is IYWXLJDAOMIVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-3-6-16(18)17(22)19-14-7-4-8-15(13-14)25(23,24)21-10-5-9-20(2)11-12-21/h4,7-8,13,16H,3,5-6,9-12,18H2,1-2H3,(H,19,22).
What are the key properties of 2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide?
2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide has a molecular weight of 368.50 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide is sourced from PubChem (CID 119876362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).