N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide

C20H25N3O3S2 — CID 30536533

IUPACN-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H25N3O3S2/c1-15-4-7-18(28(25,26)21-16-5-6-16)13-19(15)20(24)23-10-8-22(9-11-23)14-17-3-2-12-27-17/h2-4,7,12-13,16,21H,5-6,8-11,14H2,1H3
InChIKeyAKYWTCVCVFCVOA-UHFFFAOYSA-N
MW419.57 g/mol
LogP2.46
Rot. Bonds6

About N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide

N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 30536533) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID30536533
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC NameN-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H25N3O3S2/c1-15-4-7-18(28(25,26)21-16-5-6-16)13-19(15)20(24)23-10-8-22(9-11-23)14-17-3-2-12-27-17/h2-4,7,12-13,16,21H,5-6,8-11,14H2,1H3
InChIKeyAKYWTCVCVFCVOA-UHFFFAOYSA-N
XLogP2.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 49070882
5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31840744
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32505338
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 120622781
N-cyclopropyl-4-methyl-3-[4-(2-phenylethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55489639
N-cyclopropyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 35131778
4-chloro-N,N-diethyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 31328097
N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119490233
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-cyclopropyl-4-methylbenzenesulfonamide
CID 120814473
N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55376317
N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 78782911

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide (CID 30536533) is N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is AKYWTCVCVFCVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c1-15-4-7-18(28(25,26)21-16-5-6-16)13-19(15)20(24)23-10-8-22(9-11-23)14-17-3-2-12-27-17/h2-4,7,12-13,16,21H,5-6,8-11,14H2,1H3.
What are the key properties of N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 419.57 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 30536533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).