N-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide

C18H19N3O3S2 — CID 70100736

IUPACN-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide
SMILESCc1cc(Cc2ccc(NS(C)(=O)=O)cn2)n(C)c1C(=O)c1cccs1
InChIInChI=1S/C18H19N3O3S2/c1-12-9-15(21(2)17(12)18(22)16-5-4-8-25-16)10-13-6-7-14(11-19-13)20-26(3,23)24/h4-9,11,20H,10H2,1-3H3
InChIKeyXEFKAOBPHAZTFQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.98
Rot. Bonds6

About N-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide

N-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide (PubChem CID 70100736) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide
PubChem CID70100736
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide
SMILESCc1cc(Cc2ccc(NS(C)(=O)=O)cn2)n(C)c1C(=O)c1cccs1
InChIInChI=1S/C18H19N3O3S2/c1-12-9-15(21(2)17(12)18(22)16-5-4-8-25-16)10-13-6-7-14(11-19-13)20-26(3,23)24/h4-9,11,20H,10H2,1-3H3
InChIKeyXEFKAOBPHAZTFQ-UHFFFAOYSA-N
XLogP2.98
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(thiophene-2-carbonyl)phenyl]methanesulfonamide
CID 11140539
N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide
CID 112502848
N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30806579
N-(6-amino-3-pyridinyl)methanesulfonamide;hydrochloride
CID 155970466
2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
CID 107339875
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113011606
2-[1-methyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]acetic acid
CID 18424377
N-[4-[3-(3-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 3385373
N-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate
CID 18615731
N-[3-[(3S)-3-(2-ethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41043951
2-methylsulfonyl-1-thiophen-2-ylethanone
CID 4253076
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503

Frequently Asked Questions

What is the IUPAC name of N-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide (CID 70100736) is N-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide is Cc1cc(Cc2ccc(NS(C)(=O)=O)cn2)n(C)c1C(=O)c1cccs1.
What is the InChIKey of N-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide?
The InChIKey is XEFKAOBPHAZTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-12-9-15(21(2)17(12)18(22)16-5-4-8-25-16)10-13-6-7-14(11-19-13)20-26(3,23)24/h4-9,11,20H,10H2,1-3H3.
What are the key properties of N-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide?
N-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide has a molecular weight of 389.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 70100736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).