(2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide

C20H31N3O3S — CID 30796038

IUPAC(2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C20H31N3O3S/c1-16-8-10-19(11-9-16)27(25,26)23-13-5-12-22(14-15-23)17(2)20(24)21-18-6-3-4-7-18/h8-11,17-18H,3-7,12-15H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyAZLAARUWNRGGMJ-QGZVFWFLSA-N
MW393.55 g/mol
LogP2.14
Rot. Bonds5

About (2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide

(2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide (PubChem CID 30796038) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
PubChem CID30796038
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name(2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C20H31N3O3S/c1-16-8-10-19(11-9-16)27(25,26)23-13-5-12-22(14-15-23)17(2)20(24)21-18-6-3-4-7-18/h8-11,17-18H,3-7,12-15H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyAZLAARUWNRGGMJ-QGZVFWFLSA-N
XLogP2.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclohexyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 40692056
2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 18196363
N-(2-chlorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
CID 18094837
(2R)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-nitrophenyl)propanamide
CID 25445582
(2R)-N-cyclopropyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 8710306
2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 24682385
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8743246
(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylpropanamide
CID 8512767
(2R)-N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2473966
(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
CID 41155429
(2R)-N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
CID 26709367

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide (CID 30796038) is (2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide is Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide?
The InChIKey is AZLAARUWNRGGMJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-16-8-10-19(11-9-16)27(25,26)23-13-5-12-22(14-15-23)17(2)20(24)21-18-6-3-4-7-18/h8-11,17-18H,3-7,12-15H2,1-2H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide?
(2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide has a molecular weight of 393.55 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide is sourced from PubChem (CID 30796038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).