2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C19H33N3O3S — CID 3917937

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCC(C)CN(Cc1cccn1C)C(=O)CN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C19H33N3O3S/c1-16(2)13-21(14-18-11-8-12-20(18)3)19(23)15-22(26(4,24)25)17-9-6-5-7-10-17/h8,11-12,16-17H,5-7,9-10,13-15H2,1-4H3
InChIKeyCVYKBGFVTDPVPW-UHFFFAOYSA-N
MW383.56 g/mol
LogP2.60
Rot. Bonds8

About 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3917937) has the molecular formula C19H33N3O3S and a molecular weight of 383.56 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID3917937
Molecular FormulaC19H33N3O3S
Molecular Weight383.56 g/mol
Exact Mass383.22
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCC(C)CN(Cc1cccn1C)C(=O)CN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C19H33N3O3S/c1-16(2)13-21(14-18-11-8-12-20(18)3)19(23)15-22(26(4,24)25)17-9-6-5-7-10-17/h8,11-12,16-17H,5-7,9-10,13-15H2,1-4H3
InChIKeyCVYKBGFVTDPVPW-UHFFFAOYSA-N
XLogP2.60
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(naphthalen-1-ylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3919486
N-butan-2-yl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 3672154
N-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 3984272
2-[(3-bromophenyl)carbamoyl-cyclohexylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4033490
2-[cyclohexyl-[(3,4-difluorophenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4675244
N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 42767748
2-[cyclohexyl-[(4-nitrophenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3360064
N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 42767957
2,2-dimethyl-N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 3337711
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057735
3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 3663729
2-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3603833

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3917937) is 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CC(C)CN(Cc1cccn1C)C(=O)CN(C1CCCCC1)S(C)(=O)=O.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is CVYKBGFVTDPVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3S/c1-16(2)13-21(14-18-11-8-12-20(18)3)19(23)15-22(26(4,24)25)17-9-6-5-7-10-17/h8,11-12,16-17H,5-7,9-10,13-15H2,1-4H3.
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 383.56 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3917937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).