(2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide

C18H28N4O4S2 — CID 40938897

IUPAC(2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide
SMILESCC(C)[C@@H](Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1)C(=O)NC(N)=O
InChIInChI=1S/C18H28N4O4S2/c1-12(2)16(17(23)21-18(19)24)27-15-10-9-14(11-20-15)28(25,26)22(3)13-7-5-4-6-8-13/h9-13,16H,4-8H2,1-3H3,(H3,19,21,23,24)/t16-/m1/s1
InChIKeyWTPVBPXXNDWTAR-MRXNPFEDSA-N
MW428.58 g/mol
LogP2.35
Rot. Bonds7

About (2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide

(2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide (PubChem CID 40938897) has the molecular formula C18H28N4O4S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide
PubChem CID40938897
Molecular FormulaC18H28N4O4S2
Molecular Weight428.58 g/mol
Exact Mass428.16
IUPAC Name(2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide
SMILESCC(C)[C@@H](Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1)C(=O)NC(N)=O
InChIInChI=1S/C18H28N4O4S2/c1-12(2)16(17(23)21-18(19)24)27-15-10-9-14(11-20-15)28(25,26)22(3)13-7-5-4-6-8-13/h9-13,16H,4-8H2,1-3H3,(H3,19,21,23,24)/t16-/m1/s1
InChIKeyWTPVBPXXNDWTAR-MRXNPFEDSA-N
XLogP2.35
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide with MolForge

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Related Compounds

(2R)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7774961
(2S)-N-carbamoyl-3-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]butanamide
CID 7594090
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide
CID 42894237
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide
CID 7774946
(2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 25312465
(2R)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41403410
N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide
CID 7491212
ethyl N-[2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetyl]carbamate
CID 7774962
6-[(E)-4-amino-3-cyano-2-oxopent-3-enyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide
CID 16617457
N-cyclohexyl-6-(2-hydroxy-4-phenylbutyl)sulfanyl-N-methylpyridine-3-sulfonamide
CID 154861439
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
N-(2-cyanoethyl)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetamide
CID 7774968

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide?
The IUPAC name of (2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide (CID 40938897) is (2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide is CC(C)[C@@H](Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1)C(=O)NC(N)=O.
What is the InChIKey of (2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide?
The InChIKey is WTPVBPXXNDWTAR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N4O4S2/c1-12(2)16(17(23)21-18(19)24)27-15-10-9-14(11-20-15)28(25,26)22(3)13-7-5-4-6-8-13/h9-13,16H,4-8H2,1-3H3,(H3,19,21,23,24)/t16-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide?
(2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide has a molecular weight of 428.58 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide is sourced from PubChem (CID 40938897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).